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	hartrees
Energy at 0K	-192.883198
Energy at 298.15K	-192.889654
HF Energy	-192.012153
Nuclear repulsion energy	120.712753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3823	3681
2	A'	3267	3146
3	A'	3182	3064
4	A'	3156	3039
5	A'	3065	2951
6	A'	1728	1664
7	A'	1510	1454
8	A'	1471	1416
9	A'	1424	1371
10	A'	1376	1325
11	A'	1213	1168
12	A'	1027	989
13	A'	983	947
14	A'	870	838
15	A'	478	460
16	A'	405	390
17	A"	3119	3004
18	A"	1492	1437
19	A"	1079	1039
20	A"	831	800
21	A"	733	706
22	A"	509	490
23	A"	441	424
24	A"	196	189

Atom	x (Å)	y (Å)	z (Å)
C1	0.915	-1.079	0.000
C2	0.000	0.095	0.000
C3	0.386	1.374	0.000
O4	-1.308	-0.310	0.000
H5	1.952	-0.758	0.000
H6	0.731	-1.695	0.878
H7	0.731	-1.695	-0.878
H8	1.432	1.622	0.000
H9	-0.331	2.180	0.000
H10	-1.860	0.479	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4886	2.5093	2.3522	1.0852	1.0887	1.0887	2.7492	3.4895	3.1826
C2	1.4886		1.3358	1.3688	2.1307	2.1235	2.1235	2.0928	2.1115	1.8992
C3	2.5093	1.3358		2.3879	2.6460	3.2106	3.2106	1.0749	1.0792	2.4177
O4	2.3522	1.3688	2.3879		3.2905	2.6162	2.6162	3.3516	2.6745	0.9626
H5	1.0852	2.1307	2.6460	3.2905		1.7721	1.7721	2.4362	3.7219	4.0080
H6	1.0887	2.1235	3.2106	2.6162	1.7721		1.7570	3.5014	4.1129	3.4939
H7	1.0887	2.1235	3.2106	2.6162	1.7721	1.7570		3.5014	4.1129	3.4939
H8	2.7492	2.0928	1.0749	3.3516	2.4362	3.5014	3.5014		1.8498	3.4846
H9	3.4895	2.1115	1.0792	2.6745	3.7219	4.1129	4.1129	1.8498		2.2874
H10	3.1826	1.8992	2.4177	0.9626	4.0080	3.4939	3.4939	3.4846	2.2874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.270	C1	C2	O4	110.746
C2	C1	H5	110.778	C2	C1	H6	109.988
C2	C1	H7	109.988	C2	C3	H8	120.093
C2	C3	H9	121.564	C2	O4	H10	107.825
C3	C2	O4	123.984	H5	C1	H6	109.212
H5	C1	H7	109.212	H6	C1	H7	107.598
H8	C3	H9	118.344

All results from a given calculation for C₃H₆O (Acetone enol)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H6O (Acetone enol)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆O (Acetone enol)